Hello dear administrators and users
I'm working on superconductivity and the first input calculating the critical temperature is done, and as the tutorial we have two paths isotropic or anisotropic superconducting gaps, how can i know which one i will use ? there is any sign in the output ? or i must test the both calculations .
Best
Ilias
isotropic vs anisotropic superconducting gaps
Moderator: stiwari
-
ilias-serifi
- Posts: 61
- Joined: Mon Dec 17, 2018 12:43 pm
- Affiliation:
Re: isotropic vs anisotropic superconducting gaps
Hi Ilias
Have you used eliashberg = .true. ? If so, you have to specify laniso = .true. to calculate anisotropic superconductivity, and liso = .true. to calculate isotropic one.
If you have not used eliashberg = .true. flag, I think you are calculating the isotropic superconductivity.
Sincerely, Zegnet
Have you used eliashberg = .true. ? If so, you have to specify laniso = .true. to calculate anisotropic superconductivity, and liso = .true. to calculate isotropic one.
If you have not used eliashberg = .true. flag, I think you are calculating the isotropic superconductivity.
Sincerely, Zegnet
Re: isotropic vs anisotropic superconducting gaps
Hi Ilias,
First see the distribution of the electron-phonon coupling strength λ_k, saved in "prefix.lambda_k_pairs" file (For eg. in MgB_2, see https://journals.aps.org/prb/pdf/10.110 ... .87.024505 Fig. 5b). If you see an anisotropy in λ, most likely you will have anisotropy in \Delta too. Similarly you can plot the distribution of \Delta at different temps. to find Tc (Fig. 7a in the above ref.).
Best,
Hari
First see the distribution of the electron-phonon coupling strength λ_k, saved in "prefix.lambda_k_pairs" file (For eg. in MgB_2, see https://journals.aps.org/prb/pdf/10.110 ... .87.024505 Fig. 5b). If you see an anisotropy in λ, most likely you will have anisotropy in \Delta too. Similarly you can plot the distribution of \Delta at different temps. to find Tc (Fig. 7a in the above ref.).
Best,
Hari
-
ilias-serifi
- Posts: 61
- Joined: Mon Dec 17, 2018 12:43 pm
- Affiliation:
Re: isotropic vs anisotropic superconducting gaps
Hi Sir hari and Zegnet
Thanks you for the good reply
Well i see the input file and i didn't find that i write elishberg = true , my question is can i reproduce the calculation based on this ?
like i will make false for wannierise and epw and epw from write to read in order to reduce the time of execution and also have the same critical temperature ?
Best
Thanks you for the good reply
Well i see the input file and i didn't find that i write elishberg = true , my question is can i reproduce the calculation based on this ?
like i will make false for wannierise and epw and epw from write to read in order to reduce the time of execution and also have the same critical temperature ?
Code: Select all
--
&inputepw
amass(1) = 10.811
amass(2) = 32.065
outdir = './'
iverbosity = 0
ep_coupling = .true.
elph = .true.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
nbndsub = 12
wannierize = .true.
num_iter = 1000
iprint = 2
dis_win_max = 1000
dis_win_min = -10
dis_froz_max= -2
dis_froz_min= -8
proj(1) = 'B :pz'
proj(2) = 'S: px,py,pz'
efermi_read = .true.
fermi_energy = -3.5501
! bands_skipped = 'exclude_bands = 1-2'
elecselfen = .true.
phonselfen = .true.
a2f = .true.
! wannier_plot_list = '2-3, 5-6, 9-16, 18'
wdata(1) = 'dis_num_iter = 5000'
wdata(2) = 'dis_mix_ratio = 0.9'
wdata(3) = 'guiding_centres = .true.'
wdata(4) = 'bands_plot = true'
wdata(5) = 'bands_num_points = 40'
wdata(6) = 'begin kpoint_path'
wdata(7) = 'G 0.00 0.00 0.00 Y 0.00 0.50 0.00'
wdata(8) = 'Y 0.00 0.50 0.00 T 0.50 0.50 0.00'
wdata(9) = 'T 0.50 0.50 0.00 Z 0.50 0.00 0.00'
wdata(10) = 'Z 0.50 0.00 0.00 G 0.00 0.00 0.00'
wdata(11) = 'end kpoint_path'
wdata(12) = 'num_print_cycles = 50'
fermi_plot = .true.
iverbosity = 0
! system_2d = .true.
! fsthick = 10 ! eV
temps = 1 ! K (same as PRB 76, 165108)
degaussw = 0.5 ! eV
dvscf_dir = '../phonon/save/'
filukk = './B3S.ukk'
! filqf = 'path.dat'
! 'Al_band.kpt'
nkf1 = 140
nkf2 = 140
nkf3 = 1
nqf1 = 70
nqf2 = 70
nqf3 = 1
nk1 = 10
nk2 = 10
nk3 = 1
nq1 = 5
nq2 = 5
nq3 = 1
/
13 cartesian
0.000000000 0.000000000 0.000000000
0.001118755 0.232323006 0.000000000
0.002237510 0.464646013 0.000000000
0.199995077 -0.001503953 0.000000000
0.201113832 0.230819053 0.000000000
0.202232587 0.463142060 0.000000000
0.197757567 -0.466149966 0.000000000
0.198876322 -0.233826960 0.000000000
0.399990153 -0.003007906 0.000000000
0.401108908 0.229315100 0.000000000
0.402227663 0.461638107 0.000000000
0.397752643 -0.467653919 0.000000000
0.398871398 -0.235330913 0.000000000Best
Last edited by ilias-serifi on Tue Sep 28, 2021 9:32 am, edited 1 time in total.
Re: isotropic vs anisotropic superconducting gaps
Hi Ilias,
To solve the iso/aniso Eliashberg equations, first you need to calculate el-ph matrix elements in a fine mesh (ephwrite = .true.), which will be saved in a directory named 'prefix.ephmat'. After this, the code starts solving iso/aniso equations at the given temp based on your input flags.
In your case, you can restart your calculation by reading 'prefix.epmatwp, crystal.fmt, epwdata.fmt, vmedata.fmt/dmedata.fmt, prefix.ukk' files and write el-ph matrix elements, use the following flags
Please also note that if you need to re-run for a different temp, you can restart your calculation by reading the saved el-ph matrix elements. For this use the following flags;
I hope it helps!
Happy EPWing,
Hari Paudyal
To solve the iso/aniso Eliashberg equations, first you need to calculate el-ph matrix elements in a fine mesh (ephwrite = .true.), which will be saved in a directory named 'prefix.ephmat'. After this, the code starts solving iso/aniso equations at the given temp based on your input flags.
In your case, you can restart your calculation by reading 'prefix.epmatwp, crystal.fmt, epwdata.fmt, vmedata.fmt/dmedata.fmt, prefix.ukk' files and write el-ph matrix elements, use the following flags
Code: Select all
! Restart
epbwrite = .false.
epbread = .false.
epwwrite = .false.
epwread = .true.
wannierize = .false.
! Write el-ph matrix elements
ephwrite = .true
! solve Eliashberg eqns.
eliashberg = .true.
liso = .true. ! use laniso for anisotropic calculation
limag = .true.
temps = XX YY ! temperatures to solve iso/aniso equations
Code: Select all
ep_coupling = .false.
elph = .false.
ephwrite = .false.
Happy EPWing,
Hari Paudyal
Last edited by hpaudya1 on Tue Sep 28, 2021 1:48 am, edited 1 time in total.
-
ilias-serifi
- Posts: 61
- Joined: Mon Dec 17, 2018 12:43 pm
- Affiliation:
Re: isotropic vs anisotropic superconducting gaps
Hello dear hari
well i did all the commands and i had an error till i change wannierize from true to false and i add kmaps = true the calculation turns for each cordinate till
i get this error
Thanks a lot dear hari for your help
well i did all the commands and i had an error till i change wannierize from true to false and i add kmaps = true the calculation turns for each cordinate till
i get this error
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine write_ephmat (110):
error opening file ./B3S.ephmat/ephmat1
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
At line 96 of file error_handler.f90 (unit = 99)
Fortran runtime error: Cannot open file 'CRASH': Too many open files
Thanks a lot dear hari for your help
Re: isotropic vs anisotropic superconducting gaps
Hi Ilias,
Yes you are right, it should be " wannierize = .false.", which I just corrected it.
Do you have "B3S.ephmat" directory where you can see ephmatXX (pool index), ikmap, egnv, freq files?
It would be nice if you could share your full output file.
Happy EPWing,
Hari
Yes you are right, it should be " wannierize = .false.", which I just corrected it.
Do you have "B3S.ephmat" directory where you can see ephmatXX (pool index), ikmap, egnv, freq files?
It would be nice if you could share your full output file.
Happy EPWing,
Hari
-
ilias-serifi
- Posts: 61
- Joined: Mon Dec 17, 2018 12:43 pm
- Affiliation:
Re: isotropic vs anisotropic superconducting gaps
Hello Sir hari
I'm sorry for the late reply i got a technical problem in the hardware on my PC i just solve it
well in the error above i think that i don't have space in the hard disk
now i turn in another PC
This is the whole output
i dont know if i should restart all the calculations
Best regards sir
I'm sorry for the late reply i got a technical problem in the hardware on my PC i just solve it
well in the error above i think that i don't have space in the hard disk
now i turn in another PC
This is the whole output
i dont know if i should restart all the calculations
Code: Select all
``:oss/
`.+s+. .+ys--yh+ `./ss+.
-sh//yy+` +yy +yy -+h+-oyy
-yh- .oyy/.-sh. .syo-.:sy- /yh
`.-.` `yh+ -oyyyo. `/syys: oys `.`
`/+ssys+-` `sh+ ` oys` .:osyo`
-yh- ./syyooyo` .sys+/oyo--yh/
`yy+ .-:-. `-/+/:` -sh-
/yh. oys
``..---hho---------` .---------..` `.-----.` -hd+---.
`./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:`
+sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy`
-yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs
-yy+` /MMMo:-mMM+`-oo/. mMMh: `dMMN/` dMMm:`dMMMMy..MMMo-.+yo`
.sys`/MMMMNNMMMs- mMMmyooooymMMNo: oMMM/sMMMMMM++MMN//oh:
`sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+
`-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.`
+os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:`
syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo
/yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh
-yh- ```````````````` ````````` `` `` oys
-+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd:
shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh`
S. Ponce, E. R. Margine, C. Verdi, and F. Giustino,
Comput. Phys. Commun. 209, 116 (2016)
Program EPW v.5.3.0 starts on 12Oct2021 at 20:37:30
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 4 processors
MPI processes distributed on 1 nodes
K-points division: npool = 4
Fft bands division: nmany = 1
WARNING: The specified dis_win_min is ignored.
You should instead use bands_skipped = 'exclude_bands = ...'
to control the lower bound of band manifold.
Reading supplied temperature list.
------------------------------------------------------------------------
RESTART - RESTART - RESTART - RESTART
Restart is done without reading PWSCF save file.
Be aware that some consistency checks are therefore not done.
------------------------------------------------------------------------
--
bravais-lattice index = 0
lattice parameter (a_0) = 0.0000 a.u.
unit-cell volume = 0.0000 (a.u.)^3
number of atoms/cell = 0
number of atomic types = 0
kinetic-energy cut-off = 0.0000 Ry
charge density cut-off = 0.0000 Ry
Exchange-correlation= not set
( -1 -1 -1 -1 -1 -1 -1)
celldm(1)= 0.00000 celldm(2)= 0.00000 celldm(3)= 0.00000
celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000
crystal axes: (cart. coord. in units of a_0)
a(1) = ( 0.0000 0.0000 0.0000 )
a(2) = ( 0.0000 0.0000 0.0000 )
a(3) = ( 0.0000 0.0000 0.0000 )
reciprocal axes: (cart. coord. in units 2 pi/a_0)
b(1) = ( 0.0000 0.0000 0.0000 )
b(2) = ( 0.0000 0.0000 0.0000 )
b(3) = ( 0.0000 0.0000 0.0000 )
Atoms inside the unit cell:
Cartesian axes
site n. atom mass positions (a_0 units)
No symmetry!
G cutoff = 0.0000 ( 0 G-vectors) FFT grid: ( 0, 0, 0)
number of k points= 0
cart. coord. in units 2pi/a_0
EPW : 0.00s CPU 0.00s WALL
EPW : 0.00s CPU 0.00s WALL
-------------------------------------------------------------------
Using B3Se.ukk from disk
-------------------------------------------------------------------
Writing epmatq on .epb files
The .epb files have been correctly written
Do not need to read .epb files; read .fmt files
Band disentanglement is used: nbndsub = 12
Use zone-centred Wigner-Seitz cells
Number of WS vectors for electrons 103
Number of WS vectors for phonons 25
Number of WS vectors for electron-phonon 25
Maximum number of cores for efficient parallelization 600
Results may improve by using use_ws == .TRUE.
Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file
Finished reading Wann rep data from file
===================================================================
Memory usage: VmHWM = 13Mb
VmPeak = 102Mb
===================================================================
Using uniform q-mesh: 70 70 1
Size of q point mesh for interpolation: 4900
Using uniform k-mesh: 140 140 1
Size of k point mesh for interpolation: 39200
Max number of k points per pool: 9800
Fermi energy coarse grid = -3.629244 eV
===================================================================
Fermi energy is read from the input file: Ef = -3.629200 eV
===================================================================
Skipping the first 2 bands:
The Fermi level will be determined with 46.00000 electrons
ibndmin = 1 ebndmin = -4.227
ibndmax = 12 ebndmax = 0.038
Number of ep-matrix elements per pool : 16934400 ~= 129.20 Mb (@ 8 bytes/ DP)
Reading selecq.fmt file.
We only need to compute 4900 q-points
We restart from 5 q-points
ismear = 1 iq = 5 coord.: 0.00000 0.05714 0.00000 wt: 0.00020 Temp: 1.000K
-------------------------------------------------------------------
lambda___( 1 )= -0.000032 gamma___= -0.000000 meV omega= 1.2095 meV
lambda_tr( 1 )= -0.000011 gamma_tr= -0.000000 meV omega= 1.2095 meV
lambda___( 2 )= -14.923962 gamma___= -0.272870 meV omega= 2.4498 meV
lambda_tr( 2 )= -36.945034 gamma_tr= -0.675503 meV omega= 2.4498 meV
lambda___( 3 )= -3.548260 gamma___= -0.152149 meV omega= 3.7516 meV
lambda_tr( 3 )= -6.178717 gamma_tr= -0.264943 meV omega= 3.7516 meV
lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 9.1256 meV
lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.1256 meV
lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 18.4771 meV
lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 18.4771 meV
lambda___( 6 )= 0.035311 gamma___= 0.052021 meV omega= 21.9896 meV
lambda_tr( 6 )= -0.018050 gamma_tr= -0.026591 meV omega= 21.9896 meV
lambda___( 7 )= 0.037652 gamma___= 0.076586 meV omega= 25.8385 meV
lambda_tr( 7 )= 0.023253 gamma_tr= 0.047297 meV omega= 25.8385 meV
lambda___( 8 )= 0.000000 gamma___= 0.000000 meV omega= 31.6152 meV
lambda_tr( 8 )= 0.000000 gamma_tr= 0.000000 meV omega= 31.6152 meV
lambda___( 9 )= 0.000000 gamma___= 0.000000 meV omega= 33.1931 meV
lambda_tr( 9 )= 0.000000 gamma_tr= 0.000000 meV omega= 33.1931 meV
lambda___( 10 )= 0.004161 gamma___= 0.024831 meV omega= 44.2563 meV
lambda_tr( 10 )= 0.001909 gamma_tr= 0.011394 meV omega= 44.2563 meV
lambda___( 11 )= 0.003712 gamma___= 0.025538 meV omega= 47.5218 meV
lambda_tr( 11 )= 0.002909 gamma_tr= 0.020016 meV omega= 47.5218 meV
lambda___( 12 )= 0.007072 gamma___= 0.049315 meV omega= 47.8432 meV
lambda_tr( 12 )= 0.005453 gamma_tr= 0.038025 meV omega= 47.8432 meV
lambda___( 13 )= 0.006035 gamma___= 0.049504 meV omega= 51.8880 meV
lambda_tr( 13 )= 0.006349 gamma_tr= 0.052081 meV omega= 51.8880 meV
lambda___( 14 )= 0.000000 gamma___= 0.000000 meV omega= 54.1449 meV
lambda_tr( 14 )= 0.000000 gamma_tr= 0.000000 meV omega= 54.1449 meV
lambda___( 15 )= 0.000000 gamma___= 0.000000 meV omega= 59.7783 meV
lambda_tr( 15 )= 0.000000 gamma_tr= 0.000000 meV omega= 59.7783 meV
lambda___( 16 )= 0.003989 gamma___= 0.046188 meV omega= 61.6449 meV
lambda_tr( 16 )= 0.002493 gamma_tr= 0.028865 meV omega= 61.6449 meV
lambda___( 17 )= 0.003971 gamma___= 0.049379 meV omega= 63.8876 meV
lambda_tr( 17 )= 0.000767 gamma_tr= 0.009543 meV omega= 63.8876 meV
lambda___( 18 )= 0.000000 gamma___= 0.000000 meV omega= 67.3634 meV
lambda_tr( 18 )= 0.000000 gamma_tr= 0.000000 meV omega= 67.3634 meV
lambda___( 19 )= 0.007600 gamma___= 0.152886 meV omega= 81.2596 meV
lambda_tr( 19 )= 0.007954 gamma_tr= 0.160021 meV omega= 81.2596 meV
lambda___( 20 )= 0.011110 gamma___= 0.259978 meV omega= 87.6405 meV
lambda_tr( 20 )= 0.011362 gamma_tr= 0.265872 meV omega= 87.6405 meV
lambda___( 21 )= 0.010405 gamma___= 0.275633 meV omega= 93.2440 meV
lambda_tr( 21 )= 0.005372 gamma_tr= 0.142296 meV omega= 93.2440 meV
lambda___( 22 )= 0.000513 gamma___= 0.019435 meV omega= 111.5262 meV
lambda_tr( 22 )= 0.000485 gamma_tr= 0.018398 meV omega= 111.5262 meV
lambda___( 23 )= 0.003061 gamma___= 0.142616 meV omega= 123.6682 meV
lambda_tr( 23 )= 0.002664 gamma_tr= 0.124134 meV omega= 123.6682 meV
lambda___( 24 )= 0.000389 gamma___= 0.020974 meV omega= 133.0403 meV
lambda_tr( 24 )= 0.000403 gamma_tr= 0.021722 meV omega= 133.0403 meV
lambda___( tot )= -18.337274
lambda_tr( tot )= -43.070438
-------------------------------------------------------------------
Number of (k,k+q) pairs on the Fermi surface: 19600 out of 19600
ismear = 1 iq = 5 coord.: 0.00000 0.05714 0.00000 wt: 0.00020 Temp: 2.000K
-------------------------------------------------------------------
lambda___( 1 )= -0.000032 gamma___= -0.000000 meV omega= 1.2095 meV
lambda_tr( 1 )= -0.000011 gamma_tr= -0.000000 meV omega= 1.2095 meV
lambda___( 2 )= -14.895962 gamma___= -0.272358 meV omega= 2.4498 meV
lambda_tr( 2 )= -36.876775 gamma_tr= -0.674255 meV omega= 2.4498 meV
lambda___( 3 )= -3.554062 gamma___= -0.152398 meV omega= 3.7516 meV
lambda_tr( 3 )= -6.177678 gamma_tr= -0.264898 meV omega= 3.7516 meV
lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 9.1256 meV
lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.1256 meV
lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 18.4771 meV
lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 18.4771 meV
lambda___( 6 )= 0.035302 gamma___= 0.052006 meV omega= 21.9896 meV
lambda_tr( 6 )= -0.017980 gamma_tr= -0.026488 meV omega= 21.9896 meV
lambda___( 7 )= 0.037602 gamma___= 0.076485 meV omega= 25.8385 meV
lambda_tr( 7 )= 0.023192 gamma_tr= 0.047175 meV omega= 25.8385 meV
lambda___( 8 )= 0.000000 gamma___= 0.000000 meV omega= 31.6152 meV
lambda_tr( 8 )= 0.000000 gamma_tr= 0.000000 meV omega= 31.6152 meV
lambda___( 9 )= 0.000000 gamma___= 0.000000 meV omega= 33.1931 meV
lambda_tr( 9 )= 0.000000 gamma_tr= 0.000000 meV omega= 33.1931 meV
lambda___( 10 )= 0.004155 gamma___= 0.024794 meV omega= 44.2563 meV
lambda_tr( 10 )= 0.001909 gamma_tr= 0.011395 meV omega= 44.2563 meV
lambda___( 11 )= 0.003715 gamma___= 0.025562 meV omega= 47.5218 meV
lambda_tr( 11 )= 0.002913 gamma_tr= 0.020045 meV omega= 47.5218 meV
lambda___( 12 )= 0.007065 gamma___= 0.049271 meV omega= 47.8432 meV
lambda_tr( 12 )= 0.005428 gamma_tr= 0.037856 meV omega= 47.8432 meV
lambda___( 13 )= 0.006035 gamma___= 0.049502 meV omega= 51.8880 meV
lambda_tr( 13 )= 0.006355 gamma_tr= 0.052127 meV omega= 51.8880 meV
lambda___( 14 )= 0.000000 gamma___= 0.000000 meV omega= 54.1449 meV
lambda_tr( 14 )= 0.000000 gamma_tr= 0.000000 meV omega= 54.1449 meV
lambda___( 15 )= 0.000000 gamma___= 0.000000 meV omega= 59.7783 meV
lambda_tr( 15 )= 0.000000 gamma_tr= 0.000000 meV omega= 59.7783 meV
lambda___( 16 )= 0.003987 gamma___= 0.046160 meV omega= 61.6449 meV
lambda_tr( 16 )= 0.002493 gamma_tr= 0.028858 meV omega= 61.6449 meV
lambda___( 17 )= 0.003969 gamma___= 0.049352 meV omega= 63.8876 meV
lambda_tr( 17 )= 0.000767 gamma_tr= 0.009534 meV omega= 63.8876 meV
lambda___( 18 )= 0.000000 gamma___= 0.000000 meV omega= 67.3634 meV
lambda_tr( 18 )= 0.000000 gamma_tr= 0.000000 meV omega= 67.3634 meV
lambda___( 19 )= 0.007601 gamma___= 0.152921 meV omega= 81.2596 meV
lambda_tr( 19 )= 0.007958 gamma_tr= 0.160087 meV omega= 81.2596 meV
lambda___( 20 )= 0.011115 gamma___= 0.260115 meV omega= 87.6405 meV
lambda_tr( 20 )= 0.011371 gamma_tr= 0.266082 meV omega= 87.6405 meV
lambda___( 21 )= 0.010409 gamma___= 0.275723 meV omega= 93.2440 meV
lambda_tr( 21 )= 0.005359 gamma_tr= 0.141969 meV omega= 93.2440 meV
lambda___( 22 )= 0.000513 gamma___= 0.019443 meV omega= 111.5262 meV
lambda_tr( 22 )= 0.000485 gamma_tr= 0.018390 meV omega= 111.5262 meV
lambda___( 23 )= 0.003060 gamma___= 0.142581 meV omega= 123.6682 meV
lambda_tr( 23 )= 0.002663 gamma_tr= 0.124074 meV omega= 123.6682 meV
lambda___( 24 )= 0.000389 gamma___= 0.020967 meV omega= 133.0403 meV
lambda_tr( 24 )= 0.000403 gamma_tr= 0.021715 meV omega= 133.0403 meV
lambda___( tot )= -18.315139
lambda_tr( tot )= -43.001148
-------------------------------------------------------------------
Number of (k,k+q) pairs on the Fermi surface: 19600 out of 19600
ismear = 1 iq = 5 coord.: 0.00000 0.05714 0.00000 wt: 0.00020 Temp: 3.000K
-------------------------------------------------------------------
lambda___( 1 )= -0.000032 gamma___= -0.000000 meV omega= 1.2095 meV
lambda_tr( 1 )= -0.000011 gamma_tr= -0.000000 meV omega= 1.2095 meV
lambda___( 2 )= -14.880527 gamma___= -0.272076 meV omega= 2.4498 meV
lambda_tr( 2 )= -36.846549 gamma_tr= -0.673702 meV omega= 2.4498 meV
lambda___( 3 )= -3.554656 gamma___= -0.152423 meV omega= 3.7516 meV
lambda_tr( 3 )= -6.175269 gamma_tr= -0.264795 meV omega= 3.7516 meV
lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 9.1256 meV
lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.1256 meV
lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 18.4771 meV
lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 18.4771 meV
lambda___( 6 )= 0.035252 gamma___= 0.051933 meV omega= 21.9896 meV
lambda_tr( 6 )= -0.017995 gamma_tr= -0.026510 meV omega= 21.9896 meV
lambda___( 7 )= 0.037536 gamma___= 0.076351 meV omega= 25.8385 meV
lambda_tr( 7 )= 0.023078 gamma_tr= 0.046941 meV omega= 25.8385 meV
lambda___( 8 )= 0.000000 gamma___= 0.000000 meV omega= 31.6152 meV
lambda_tr( 8 )= 0.000000 gamma_tr= 0.000000 meV omega= 31.6152 meV
lambda___( 9 )= 0.000000 gamma___= 0.000000 meV omega= 33.1931 meV
lambda_tr( 9 )= 0.000000 gamma_tr= 0.000000 meV omega= 33.1931 meV
lambda___( 10 )= 0.004150 gamma___= 0.024765 meV omega= 44.2563 meV
lambda_tr( 10 )= 0.001883 gamma_tr= 0.011238 meV omega= 44.2563 meV
lambda___( 11 )= 0.003718 gamma___= 0.025578 meV omega= 47.5218 meV
lambda_tr( 11 )= 0.002914 gamma_tr= 0.020050 meV omega= 47.5218 meV
lambda___( 12 )= 0.007060 gamma___= 0.049236 meV omega= 47.8432 meV
lambda_tr( 12 )= 0.005399 gamma_tr= 0.037654 meV omega= 47.8432 meV
lambda___( 13 )= 0.006033 gamma___= 0.049490 meV omega= 51.8880 meV
lambda_tr( 13 )= 0.006356 gamma_tr= 0.052136 meV omega= 51.8880 meV
lambda___( 14 )= 0.000000 gamma___= 0.000000 meV omega= 54.1449 meV
lambda_tr( 14 )= 0.000000 gamma_tr= 0.000000 meV omega= 54.1449 meV
lambda___( 15 )= 0.000000 gamma___= 0.000000 meV omega= 59.7783 meV
lambda_tr( 15 )= 0.000000 gamma_tr= 0.000000 meV omega= 59.7783 meV
lambda___( 16 )= 0.003985 gamma___= 0.046137 meV omega= 61.6449 meV
lambda_tr( 16 )= 0.002490 gamma_tr= 0.028828 meV omega= 61.6449 meV
lambda___( 17 )= 0.003966 gamma___= 0.049324 meV omega= 63.8876 meV
lambda_tr( 17 )= 0.000765 gamma_tr= 0.009509 meV omega= 63.8876 meV
lambda___( 18 )= 0.000000 gamma___= 0.000000 meV omega= 67.3634 meV
lambda_tr( 18 )= 0.000000 gamma_tr= 0.000000 meV omega= 67.3634 meV
lambda___( 19 )= 0.007602 gamma___= 0.152936 meV omega= 81.2596 meV
lambda_tr( 19 )= 0.007958 gamma_tr= 0.160093 meV omega= 81.2596 meV
lambda___( 20 )= 0.011118 gamma___= 0.260165 meV omega= 87.6405 meV
lambda_tr( 20 )= 0.011372 gamma_tr= 0.266123 meV omega= 87.6405 meV
lambda___( 21 )= 0.010410 gamma___= 0.275745 meV omega= 93.2440 meV
lambda_tr( 21 )= 0.005348 gamma_tr= 0.141655 meV omega= 93.2440 meV
lambda___( 22 )= 0.000513 gamma___= 0.019451 meV omega= 111.5262 meV
lambda_tr( 22 )= 0.000485 gamma_tr= 0.018381 meV omega= 111.5262 meV
lambda___( 23 )= 0.003059 gamma___= 0.142541 meV omega= 123.6682 meV
lambda_tr( 23 )= 0.002661 gamma_tr= 0.123974 meV omega= 123.6682 meV
lambda___( 24 )= 0.000389 gamma___= 0.020964 meV omega= 133.0403 meV
lambda_tr( 24 )= 0.000403 gamma_tr= 0.021707 meV omega= 133.0403 meV
lambda___( tot )= -18.300424
lambda_tr( tot )= -42.968713
-------------------------------------------------------------------
Number of (k,k+q) pairs on the Fermi surface: 19600 out of 19600
ismear = 1 iq = 5 coord.: 0.00000 0.05714 0.00000 wt: 0.00020 Temp: 5.000K
-------------------------------------------------------------------
lambda___( 1 )= -0.000032 gamma___= -0.000000 meV omega= 1.2095 meV
lambda_tr( 1 )= -0.000011 gamma_tr= -0.000000 meV omega= 1.2095 meV
lambda___( 2 )= -14.885983 gamma___= -0.272175 meV omega= 2.4498 meV
lambda_tr( 2 )= -36.834208 gamma_tr= -0.673477 meV omega= 2.4498 meV
lambda___( 3 )= -3.554025 gamma___= -0.152396 meV omega= 3.7516 meV
lambda_tr( 3 )= -6.166842 gamma_tr= -0.264434 meV omega= 3.7516 meV
lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 9.1256 meV
lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.1256 meV
lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 18.4771 meV
lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 18.4771 meV
lambda___( 6 )= 0.035148 gamma___= 0.051779 meV omega= 21.9896 meV
lambda_tr( 6 )= -0.017873 gamma_tr= -0.026330 meV omega= 21.9896 meV
lambda___( 7 )= 0.037418 gamma___= 0.076111 meV omega= 25.8385 meV
lambda_tr( 7 )= 0.022886 gamma_tr= 0.046551 meV omega= 25.8385 meV
lambda___( 8 )= 0.000000 gamma___= 0.000000 meV omega= 31.6152 meV
lambda_tr( 8 )= 0.000000 gamma_tr= 0.000000 meV omega= 31.6152 meV
lambda___( 9 )= 0.000000 gamma___= 0.000000 meV omega= 33.1931 meV
lambda_tr( 9 )= 0.000000 gamma_tr= 0.000000 meV omega= 33.1931 meV
lambda___( 10 )= 0.004144 gamma___= 0.024730 meV omega= 44.2563 meV
lambda_tr( 10 )= 0.001845 gamma_tr= 0.011009 meV omega= 44.2563 meV
lambda___( 11 )= 0.003721 gamma___= 0.025602 meV omega= 47.5218 meV
lambda_tr( 11 )= 0.002915 gamma_tr= 0.020059 meV omega= 47.5218 meV
lambda___( 12 )= 0.007054 gamma___= 0.049195 meV omega= 47.8432 meV
lambda_tr( 12 )= 0.005360 gamma_tr= 0.037378 meV omega= 47.8432 meV
lambda___( 13 )= 0.006030 gamma___= 0.049463 meV omega= 51.8880 meV
lambda_tr( 13 )= 0.006353 gamma_tr= 0.052112 meV omega= 51.8880 meV
lambda___( 14 )= 0.000000 gamma___= 0.000000 meV omega= 54.1449 meV
lambda_tr( 14 )= 0.000000 gamma_tr= 0.000000 meV omega= 54.1449 meV
lambda___( 15 )= 0.000000 gamma___= 0.000000 meV omega= 59.7783 meV
lambda_tr( 15 )= 0.000000 gamma_tr= 0.000000 meV omega= 59.7783 meV
lambda___( 16 )= 0.003982 gamma___= 0.046105 meV omega= 61.6449 meV
lambda_tr( 16 )= 0.002487 gamma_tr= 0.028791 meV omega= 61.6449 meV
lambda___( 17 )= 0.003963 gamma___= 0.049277 meV omega= 63.8876 meV
lambda_tr( 17 )= 0.000761 gamma_tr= 0.009467 meV omega= 63.8876 meV
lambda___( 18 )= 0.000000 gamma___= 0.000000 meV omega= 67.3634 meV
lambda_tr( 18 )= 0.000000 gamma_tr= 0.000000 meV omega= 67.3634 meV
lambda___( 19 )= 0.007601 gamma___= 0.152915 meV omega= 81.2596 meV
lambda_tr( 19 )= 0.007955 gamma_tr= 0.160035 meV omega= 81.2596 meV
lambda___( 20 )= 0.011120 gamma___= 0.260224 meV omega= 87.6405 meV
lambda_tr( 20 )= 0.011375 gamma_tr= 0.266197 meV omega= 87.6405 meV
lambda___( 21 )= 0.010408 gamma___= 0.275701 meV omega= 93.2440 meV
lambda_tr( 21 )= 0.005340 gamma_tr= 0.141442 meV omega= 93.2440 meV
lambda___( 22 )= 0.000514 gamma___= 0.019465 meV omega= 111.5262 meV
lambda_tr( 22 )= 0.000485 gamma_tr= 0.018377 meV omega= 111.5262 meV
lambda___( 23 )= 0.003058 gamma___= 0.142479 meV omega= 123.6682 meV
lambda_tr( 23 )= 0.002657 gamma_tr= 0.123810 meV omega= 123.6682 meV
lambda___( 24 )= 0.000389 gamma___= 0.020963 meV omega= 133.0403 meV
lambda_tr( 24 )= 0.000402 gamma_tr= 0.021701 meV omega= 133.0403 meV
lambda___( tot )= -18.305491
lambda_tr( tot )= -42.948112
-------------------------------------------------------------------
Number of (k,k+q) pairs on the Fermi surface: 19600 out of 19600
ismear = 1 iq = 5 coord.: 0.00000 0.05714 0.00000 wt: 0.00020 Temp: 7.000K
-------------------------------------------------------------------
lambda___( 1 )= -0.000032 gamma___= -0.000000 meV omega= 1.2095 meV
lambda_tr( 1 )= -0.000011 gamma_tr= -0.000000 meV omega= 1.2095 meV
lambda___( 2 )= -14.913291 gamma___= -0.272675 meV omega= 2.4498 meV
lambda_tr( 2 )= -36.878616 gamma_tr= -0.674289 meV omega= 2.4498 meV
lambda___( 3 )= -3.554377 gamma___= -0.152411 meV omega= 3.7516 meV
lambda_tr( 3 )= -6.162021 gamma_tr= -0.264227 meV omega= 3.7516 meV
lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 9.1256 meV
lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 9.1256 meV
lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 18.4771 meV
lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 18.4771 meV
lambda___( 6 )= 0.035087 gamma___= 0.051689 meV omega= 21.9896 meV
lambda_tr( 6 )= -0.017639 gamma_tr= -0.025986 meV omega= 21.9896 meV
lambda___( 7 )= 0.037339 gamma___= 0.075950 meV omega= 25.8385 meV
lambda_tr( 7 )= 0.022768 gamma_tr= 0.046311 meV omega= 25.8385 meV
lambda___( 8 )= 0.000000 gamma___= 0.000000 meV omega= 31.6152 meV
lambda_tr( 8 )= 0.000000 gamma_tr= 0.000000 meV omega= 31.6152 meV
lambda___( 9 )= 0.000000 gamma___= 0.000000 meV omega= 33.1931 meV
lambda_tr( 9 )= 0.000000 gamma_tr= 0.000000 meV omega= 33.1931 meV
lambda___( 10 )= 0.004144 gamma___= 0.024729 meV omega= 44.2563 meV
lambda_tr( 10 )= 0.001832 gamma_tr= 0.010930 meV omega= 44.2563 meV
lambda___( 11 )= 0.003724 gamma___= 0.025626 meV omega= 47.5218 meV
lambda_tr( 11 )= 0.002920 gamma_tr= 0.020088 meV omega= 47.5218 meV
lambda___( 12 )= 0.007052 gamma___= 0.049182 meV omega= 47.8432 meV
lambda_tr( 12 )= 0.005337 gamma_tr= 0.037218 meV omega= 47.8432 meV
lambda___( 13 )= 0.006028 gamma___= 0.049450 meV omega= 51.8880 meV
lambda_tr( 13 )= 0.006350 gamma_tr= 0.052088 meV omega= 51.8880 meV
lambda___( 14 )= 0.000000 gamma___= 0.000000 meV omega= 54.1449 meV
lambda_tr( 14 )= 0.000000 gamma_tr= 0.000000 meV omega= 54.1449 meV
lambda___( 15 )= 0.000000 gamma___= 0.000000 meV omega= 59.7783 meV
lambda_tr( 15 )= 0.000000 gamma_tr= 0.000000 meV omega= 59.7783 meV
lambda___( 16 )= 0.003979 gamma___= 0.046072 meV omega= 61.6449 meV
lambda_tr( 16 )= 0.002484 gamma_tr= 0.028757 meV omega= 61.6449 meV
lambda___( 17 )= 0.003961 gamma___= 0.049251 meV omega= 63.8876 meV
lambda_tr( 17 )= 0.000759 gamma_tr= 0.009433 meV omega= 63.8876 meV
lambda___( 18 )= 0.000000 gamma___= 0.000000 meV omega= 67.3634 meV
lambda_tr( 18 )= 0.000000 gamma_tr= 0.000000 meV omega= 67.3634 meV
lambda___( 19 )= 0.007599 gamma___= 0.152882 meV omega= 81.2596 meV
lambda_tr( 19 )= 0.007950 gamma_tr= 0.159944 meV omega= 81.2596 meV
lambda___( 20 )= 0.011123 gamma___= 0.260294 meV omega= 87.6405 meV
lambda_tr( 20 )= 0.011385 gamma_tr= 0.266422 meV omega= 87.6405 meV
lambda___( 21 )= 0.010406 gamma___= 0.275643 meV omega= 93.2440 meV
lambda_tr( 21 )= 0.005342 gamma_tr= 0.141496 meV omega= 93.2440 meV
lambda___( 22 )= 0.000514 gamma___= 0.019475 meV omega= 111.5262 meV
lambda_tr( 22 )= 0.000485 gamma_tr= 0.018379 meV omega= 111.5262 meV
lambda___( 23 )= 0.003057 gamma___= 0.142448 meV omega= 123.6682 meV
lambda_tr( 23 )= 0.002655 gamma_tr= 0.123713 meV omega= 123.6682 meV
lambda___( 24 )= 0.000389 gamma___= 0.020967 meV omega= 133.0403 meV
lambda_tr( 24 )= 0.000403 gamma_tr= 0.021705 meV omega= 133.0403 meV
lambda___( tot )= -18.333297
lambda_tr( tot )= -42.987619
-------------------------------------------------------------------
Number of (k,k+q) pairs on the Fermi surface: 19600 out of 19600
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 10780 RUNNING AT labphems04-HP-ProDesk-400-G4-MT
= EXIT CODE: 139
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================
YOUR APPLICATION TERMINATED WITH THE EXIT STRING: Segmentation fault (signal 11)
This typically refers to a problem with your application.
Please see the FAQ page for debugging suggestionsBest regards sir